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Merge branch '249-mark-dadf5-file-format-as-stable' into 'development' 

DADF5 v1.0

Closes #249

See merge request damask/DAMASK!715
This commit is contained in:
Daniel Otto de Mentock 2023-02-06 11:36:05 +00:00
parent 354232ab09 f401c51e22
commit 430084cf35
30 changed files with 38 additions and 29 deletions
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2
python/damask/_result.py
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@ -106,7 +106,7 @@ class Result:
self.version_major = f.attrs['DADF5_version_major']
self.version_minor = f.attrs['DADF5_version_minor']
if self.version_major != 0 or not 12 <= self.version_minor <= 14:
if (self.version_major != 0 or not 12 <= self.version_minor <= 14) and self.version_major != 1:
raise TypeError(f'unsupported DADF5 version "{self.version_major}.{self.version_minor}"')
if self.version_major == 0 and self.version_minor < 14:
self.export_simulation_setup = None # type: ignore

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python/tests/reference/Result/6grains6x7x8_single_phase_tensionY.xdmf vendored
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@ -26,7 +26,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_0/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_0/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -177,7 +177,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_4/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_4/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -328,7 +328,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_8/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_8/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -479,7 +479,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_12/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_12/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -630,7 +630,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_16/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_16/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -781,7 +781,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_20/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_20/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -932,7 +932,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_24/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_24/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -1083,7 +1083,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_28/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_28/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -1234,7 +1234,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_32/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_32/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -1385,7 +1385,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_36/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_36/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">
@ -1536,7 +1536,7 @@
<Attribute Name="phase/mechanical/L_p / 1/s" Center="Cell" AttributeType="Tensor">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 9">6grains6x7x8_single_phase_tensionY.hdf5:increment_40/phase/pheno_fcc/mechanical/L_p</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/O / q_0 (q_1 q_2 q_3)" Center="Cell" AttributeType="Matrix">
<Attribute Name="phase/mechanical/O / 1" Center="Cell" AttributeType="Matrix">
<DataItem Format="HDF" NumberType="Float" Precision="8" Dimensions="8 7 6 4">6grains6x7x8_single_phase_tensionY.hdf5:increment_40/phase/pheno_fcc/mechanical/O</DataItem>
</Attribute>
<Attribute Name="phase/mechanical/P / Pa" Center="Cell" AttributeType="Tensor">

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python/tests/reference/Result/export_VTK/test_export_vtk[0-0-1].md5 vendored
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27972d6a0955e4e6e27a6ac5762abda8
c7280da4e7cb4d993b9d26d0285cf85e

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python/tests/reference/Result/export_VTK/test_export_vtk[0-1-0].md5 vendored Normal file
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python/tests/reference/Result/export_VTK/test_export_vtk[0-1-1].md5 vendored Normal file
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python/tests/reference/Result/export_VTK/test_export_vtk[0-2-0].md5 vendored Normal file
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python/tests/reference/Result/export_VTK/test_export_vtk[0-2-2].md5 vendored Normal file
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python/tests/reference/Result/export_VTK/test_export_vtk[0-2-3].md5 vendored Normal file
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python/tests/reference/Result/export_VTK/test_export_vtk[1-0-1].md5 vendored
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python/tests/reference/Result/export_VTK/test_export_vtk[1-1-1].md5 vendored Normal file
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python/tests/reference/Result/export_VTK/test_export_vtk[1-1-2].md5 vendored Normal file
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python/tests/test_Result.py
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@ -385,7 +385,9 @@ class TestResult:
assert np.allclose(a,b)
@pytest.mark.parametrize('output',['F','*',['P'],['P','F']],ids=range(4))
@pytest.mark.parametrize('fname',['12grains6x7x8_tensionY.hdf5'],ids=range(1))
@pytest.mark.parametrize('fname',['12grains6x7x8_tensionY.hdf5',
'4grains2x4x3_compressionY.hdf5',
'6grains6x7x8_single_phase_tensionY.hdf5'],ids=range(3))
@pytest.mark.parametrize('inc',[4,0],ids=range(2))
@pytest.mark.xfail(int(vtk.vtkVersion.GetVTKVersion().split('.')[0])<9, reason='missing "Direction" attribute')
def test_export_vtk(self,request,tmp_path,ref_path,update,patch_execution_stamp,patch_datetime_now,output,fname,inc):
@ -395,8 +397,8 @@ class TestResult:
v = VTK.load(tmp_path/fname)
v.comments = ['n/a']
v.save(tmp_path/fname,parallel=False)
with open(tmp_path/fname) as f:
cur = hashlib.md5(f.read().encode()).hexdigest()
with open(tmp_path/fname,'rb') as f:
cur = hashlib.md5(f.read()).hexdigest()
if update:
with open((ref_path/'export_VTK'/request.node.name).with_suffix('.md5'),'w') as f:
f.write(cur+'\n')

5
src/grid/grid_mech_spectral_basic.f90
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@ -115,11 +115,6 @@ subroutine grid_mechanical_spectral_basic_init()
PetscInt, dimension(0:worldsize-1) :: localK
real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
integer(HID_T) :: fileHandle, groupHandle
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
type(MPI_File) :: fileUnit
#else
integer :: fileUnit
#endif
type(tDict), pointer :: &
num_grid
type(tList), pointer :: &

6
src/grid/grid_mech_spectral_polarisation.f90
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@ -128,11 +128,6 @@ subroutine grid_mechanical_spectral_polarisation_init()
PetscInt, dimension(0:worldsize-1) :: localK
real(pReal), dimension(3,3,product(cells(1:2))*cells3) :: temp33n
integer(HID_T) :: fileHandle, groupHandle
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
type(MPI_File) :: fileUnit
#else
integer :: fileUnit
#endif
type(tDict), pointer :: &
num_grid
type(tList), pointer :: &
@ -140,6 +135,7 @@ subroutine grid_mechanical_spectral_polarisation_init()
character(len=pStringLen) :: &
extmsg = ''
print'(/,1x,a)', '<<<+- grid_mechanical_spectral_polarization init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'P. Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'

4
src/result.f90
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@ -83,8 +83,8 @@ subroutine result_init(restart)
if (.not. restart) then
resultFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
call result_addAttribute('DADF5_version_major',0)
call result_addAttribute('DADF5_version_minor',14)
call result_addAttribute('DADF5_version_major',1)
call result_addAttribute('DADF5_version_minor',0)
call get_command_argument(0,commandLine)
call result_addAttribute('creator',trim(commandLine)//' '//DAMASKVERSION)
call result_addAttribute('created',now())